Spektraris NMR
Podolactone D
Common Name: Podolactone D
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C20H24O7S/c1-17-6-5-7-18(2)13(17)12(26-16(18)22)14-20(27-14)10(17)8-11(21)25-15(20)19(3,23)9-28(4)24/h5,7-8,12-15,23H,6,9H2,1-4H3/t12-,13+,14+,15+,17+,18-,19-,20-,28+/m0/s1
InChIKey: InChIKey=JBOCKXJDIJBMIP-CRPLMWRPSA-N
Formula: C20H24O7S1
Molecular Weight: 408.467215
Exact Mass: 408.124274
NMR Solvent: C+C
MHz:
Calibration:
NMR references: 13C - Park, H.S., Takahashi, Y., Fukaya, H., Aoyagi, Y., Takeya, K. J Nat Prod (2003) 66, 282-4
Species:
Notes: Family : Terpenoids, Type : Diterpenoids, Group : Nagilactones; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 32.3 |
| 2 (CH) | 126.2 |
| 3 (CH) | 128.2 |
| 4 (C) | 44 |
| 5 (CH) | 42.7 |
| 6 (CH) | 72.1 |
| 7 (CH) | 55.6 |
| 8 (C) | 58 |
| 9 (C) | 158.4 |
| 10 (C) | 158.4 |
| 11 (CH) | 117.2 |
| 12 (C) | 162.9 |
| 14 (CH) | 82.9 |
| 15 (C) | 73.2 |
| 16 (CH3) | 27.5 |
| 17 (CH2) | 61.7 |
| 18 (CH3) | 22.3 |
| 19 (C) | 177.8 |
| 20 (CH3) | 22.5 |
| 17a (CH3) | 40.1 |
